U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H51NO11.ClH
Molecular Weight 710.251
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERATRIDINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12CC[C@@]3([H])[C@]4(O)C[C@H](O)[C@@]5(O)[C@@]([H])(CN6C[C@@H](C)CC[C@@]6([H])[C@@]5(C)O)[C@]4(O)C[C@@]37O[C@]1(O)[C@H](CC[C@@]27C)OC(=O)C8=CC(OC)=C(OC)C=C8

InChI

InChIKey=KNVXWFGVWDCFDA-XPIHVMJCSA-N
InChI=1S/C36H51NO11.ClH/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5;/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3;1H/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VERATRIDINE HYDROCHLORIDE
Common Name English
CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, 3-(3,4-DIMETHOXYBENZOATE), HYDROCHLORIDE, (3.BETA.,4.ALPHA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40911848
Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023
PRIMARY
PUBCHEM
91800170
Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023
PRIMARY
CAS
11076-62-3
Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023
PRIMARY
FDA UNII
388H04NR0I
Created by admin on Sat Dec 16 09:09:11 UTC 2023 , Edited by admin on Sat Dec 16 09:09:11 UTC 2023
PRIMARY